6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide

C8H9ClN2O2S — CID 54262102

IUPAC6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)CNC2
InChIInChI=1S/C8H9ClN2O2S/c9-7-1-5-3-11-4-6(5)2-8(7)14(10,12)13/h1-2,11H,3-4H2,(H2,10,12,13)
InChIKeyUNGUWMBLEWCMJR-UHFFFAOYSA-N
MW232.69 g/mol
LogP0.59
Rot. Bonds1

About 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide

6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 54262102) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID54262102
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)CNC2
InChIInChI=1S/C8H9ClN2O2S/c9-7-1-5-3-11-4-6(5)2-8(7)14(10,12)13/h1-2,11H,3-4H2,(H2,10,12,13)
InChIKeyUNGUWMBLEWCMJR-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide hydrochloride
CID 91642718
N,N-dimethyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 54593308
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-fluoro-5-methylbenzenesulfonamide
CID 120723899
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120724216
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 120724217
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120724242
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 120724243
5-Chloro-2-tosylisoindoline
CID 15167891
2-(p-Toluenesulfonyl)-4-chloroisoindoline
CID 15167894
Isoindoline-5-sulfonamide
CID 54592923
5-chloro-6-ethylsulfonyl-2,3-dihydro-1H-isoindole
CID 57753419
5-chloro-6-ethylsulfanyl-2,3-dihydro-1H-isoindole
CID 57753713

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 54262102) is 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)CNC2.
What is the InChIKey of 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is UNGUWMBLEWCMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-7-1-5-3-11-4-6(5)2-8(7)14(10,12)13/h1-2,11H,3-4H2,(H2,10,12,13).
What are the key properties of 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide?
6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 232.69 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 54262102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).